2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol

C15H16N4O — CID 105109180

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
SMILESCCn1ncnc1CC(O)c1cccc2ncccc12
InChIInChI=1S/C15H16N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10,14,20H,2,9H2,1H3
InChIKeyXMDLHSSSYQABHL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol

2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol (PubChem CID 105109180) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
PubChem CID105109180
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
SMILESCCn1ncnc1CC(O)c1cccc2ncccc12
InChIInChI=1S/C15H16N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10,14,20H,2,9H2,1H3
InChIKeyXMDLHSSSYQABHL-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105107161
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105112369
2-(1-methylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105113593
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanone
CID 105111478
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109204
3-methoxy-1-quinolin-5-ylpropan-1-ol
CID 81220357
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
(1,3-diethylpyrazol-5-yl)-quinolin-5-ylmethanol
CID 105118165
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
CID 103027648

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol (CID 105109180) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol is CCn1ncnc1CC(O)c1cccc2ncccc12.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
The InChIKey is XMDLHSSSYQABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-19-15(17-10-18-19)9-14(20)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10,14,20H,2,9H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol has a molecular weight of 268.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol is sourced from PubChem (CID 105109180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).